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3989-45-5 | N-benzylmethanesulfonamide
CAS No: 3989-45-5 Catalog No: AG00JJAJ MDL No:MFCD00117816
Product Description
Catalog Number:
AG00JJAJ
Chemical Name:
N-benzylmethanesulfonamide
CAS Number:
3989-45-5
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD00117816
IUPAC Name:
N-benzylmethanesulfonamide
InChI:
InChI=1S/C8H11NO2S/c1-12(10,11)9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChI Key:
JPZKJABGOSPYDD-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)NCc1ccccc1
NSC Number:
36910
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and evaluation of thiol-activated sources of sulfur dioxide (SO₂) as antimycobacterial agents. | Journal of medicinal chemistry 20120112 |
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